ChemSpider 2D Image | (4S)-5'-Chloro-2,5-dihydroxy-7'-methyl-1'-[3-(trifluoromethyl)benzyl]spiro[imidazole-4,3'-indol]-2'(1'H)-one | C19H13ClF3N3O3

(4S)-5'-Chloro-2,5-dihydroxy-7'-methyl-1'-[3-(trifluoromethyl)benzyl]spiro[imidazole-4,3'-indol]-2'(1'H)-one

  • Molecular FormulaC19H13ClF3N3O3
  • Average mass423.773 Da
  • Monoisotopic mass423.059753 Da
  • ChemSpider ID57642186

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S)-5'-Chlor-2,5-dihydroxy-7'-methyl-1'-[3-(trifluormethyl)benzyl]spiro[imidazole-4,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
(4S)-5'-Chloro-2,5-dihydroxy-7'-methyl-1'-[3-(trifluoromethyl)benzyl]spiro[imidazole-4,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(4S)-5'-Chloro-2,5-dihydroxy-7'-méthyl-1'-[3-(trifluorométhyl)benzyl]spiro[imidazole-4,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
Spiro[4H-imidazole-4,3'-[3H]indol]-2'(1'H)-one, 5'-chloro-2,5-dihydroxy-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]-, (4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 699.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.7±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 97.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 264.2±7.0 cm3

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